3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol

C15H26N4O — CID 117151266

IUPAC3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
SMILESCC(C)N1CCC(Cc2nnc3n2CCC(O)C3)CC1
InChIInChI=1S/C15H26N4O/c1-11(2)18-6-3-12(4-7-18)9-14-16-17-15-10-13(20)5-8-19(14)15/h11-13,20H,3-10H2,1-2H3
InChIKeyXECGAFDSVQJGNP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.25
Rot. Bonds3

About 3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol

3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol (PubChem CID 117151266) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol.

Molecular Properties

Compound Name3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
PubChem CID117151266
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
SMILESCC(C)N1CCC(Cc2nnc3n2CCC(O)C3)CC1
InChIInChI=1S/C15H26N4O/c1-11(2)18-6-3-12(4-7-18)9-14-16-17-15-10-13(20)5-8-19(14)15/h11-13,20H,3-10H2,1-2H3
InChIKeyXECGAFDSVQJGNP-UHFFFAOYSA-N
XLogP1.25
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The IUPAC name of 3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol (CID 117151266) is 3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol.
What is the SMILES notation for 3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The canonical SMILES for 3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol is CC(C)N1CCC(Cc2nnc3n2CCC(O)C3)CC1.
What is the InChIKey of 3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The InChIKey is XECGAFDSVQJGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)18-6-3-12(4-7-18)9-14-16-17-15-10-13(20)5-8-19(14)15/h11-13,20H,3-10H2,1-2H3.
What are the key properties of 3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol has a molecular weight of 278.40 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol is sourced from PubChem (CID 117151266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).